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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=81846 Help
TitleSubnitrides with the new cluster Ba14 Ca N6.
AuthorsSimon, A.;Steinbrenner, U.
ReferenceIC&volume=92&fpage=211&details=yes target=icsd_help>Journal of the Chemical Society. Faraday (1996) 92, 211-212
Link XRef SCOPUS Google
CompoundBa14 Ca1 N6 Na17 - Sodium barium calcium nitride (17/14/1/6) [] [aP38] [i18 h b] []
Cell11.142(5), 12.065(5), 13.725(6), 66.65(3), 67.79(3), 78.88(3)
P1- (2) V=1566.23
RemarksR=0.056000 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(2i)0
Ba2(2i)0
Ba3(2i)0
Ba4(2i)0
Ba5(2i)0
Ba6(2i)0
Ba7(2i)0
Ca1(1h)0
Na1(1b)0
Na2(2i)0
Na3(2i)0
Na4(2i)0
Na5(2i)0
Na6(2i)0
Na7(2i)0
Na8(2i)0
Na9(2i)0
N1(2i)0
N2(2i)0
N3(2i)0
0.370.770.4401
0.270.310.6901
0.260.520.4001
0.380.560.7301
0.340.160.4501
0.470.780.1201
0.030.610.6701
0.50.50.501
000.501
0.230.090.2001
0.630.590.8901
0.040.810.3101
0.130.890.7501
0.580.080.1801
0.900.640.9801
0.850.970.9901
0.160.680.0501
0.480.640.3001
0.420.320.4701
0.730.440.4001
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(2i)0
Ba2(2i)0
Ba3(2i)0
Ba4(2i)0
Ba5(2i)0
Ba6(2i)0
Ba7(2i)0
Ca1(1h)0
Na1(1b)0
Na2(2i)0
Na3(2i)0
Na4(2i)0
Na5(2i)0
Na6(2i)0
Na7(2i)0
Na8(2i)0
Na9(2i)0
N1(2i)0
N2(2i)0
N3(2i)0
0.040.030.04-.00-.01-.01
0.030.030.03-.00-.00-.01
0.030.040.040.00-.01-.01
0.040.040.03-.00-.01-.01
0.050.040.05-.00-.01-.02
0.050.040.030.00-.01-.00
0.030.050.050.00-.00-.02
0.030.030.03-.00-.01-.01
0.060.070.08-.00-.02-.02
0.060.080.07-.00-.02-.02
0.080.090.06-.01-.01-.03
0.060.070.100.00-.02-.02
0.080.070.080.00-.02-.02
0.070.080.06-.01-.01-.02
0.090.100.06-.00-.01-.03
0.090.090.08-.00-.01-.03
0.110.090.10-.03-.04-.00
0.030.030.030.00-.01-.01
0.040.030.04-.00-.01-.01
0.030.030.04-.00-.01-.02

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